SCHEMBL2194027

SCHEMBL2194027

CCOC(=O)Cc1cc(N)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
PRKCI P41743 1/20 0.51
ACHE P22303 1/20 0.50
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.43
NR4A1 P22736 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9081693 0.87 LMNA (0.47) EGFRPKMLMNACYP1A2CYP3A4
SCHEMBL5067014 0.85 LMNA (0.46) EGFRPKMLMNACYP1A2CYP3A4
SCHEMBL12877592 0.83 ALDH1A1 (0.57) EGFRPRKCIACHEPKMLMNA
SCHEMBL21456017 0.83 EGFR (0.58) EGFRPKMCYP1A2TTRDPP4
SCHEMBL27797500 0.83 EGFR (0.74) EGFRPKMLMNACYP1A2CYP3A4
SCHEMBL3720048 0.83 LMNA (0.44) EGFRPKMLMNACYP1A2CYP3A4
SCHEMBL4277534 0.83 MAOA (0.44) EGFRPKMLMNACYP1A2CYP3A4
SCHEMBL13564344 0.82 LMNA (0.46) EGFRPKMLMNACYP1A2CYP3A4
SCHEMBL2131319 0.82 LMNA (0.46) EGFRPKMLMNACYP1A2CYP3A4
SCHEMBL2190989 0.81 DPP4 (0.49) PKMLMNACYP1A2CYP3A4MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486491-B1 CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-07-13 EP disclosed
US-7351705-B2 Carboxylic acid compounds and a pharmaceutical agent comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
EP-1486491-A1 CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050222216-A1 Carboxyoic acid compounds and drugs containing the compounds as the active ingredient UACA, CPA3, HCAR1 EGFR 912/4885PRKCI 868/4885ACHE 358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.